⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14914504 | 0.98 | — | — | |
| SCHEMBL14914756 | 0.98 | — | — | |
| SCHEMBL14914767 | 0.98 | — | — | |
| SCHEMBL14914858 | 0.96 | SIGMAR1 (0.30) | — | |
| SCHEMBL14915865 | 0.96 | SIGMAR1 (0.30) | — | |
| SCHEMBL11519789 | 0.91 | CYP1A2 (0.30) | — | |
| SCHEMBL14914492 | 0.76 | — | — | |
| SCHEMBL14914769 | 0.74 | — | — | |
| SCHEMBL14914758 | 0.74 | — | — | |
| SCHEMBL14914507 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130115520-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL ELEMENT UTILIZING SAME | UBE INDUSTRIES, LTD. (JP) | 2013-05-09 | — | — | US | disclosed |